4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine

C14H17F4N — CID 112563753

IUPAC4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(Cc1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C14H17F4N/c15-13(11-5-7-19-8-6-11)9-10-1-3-12(4-2-10)14(16,17)18/h1-4,11,13,19H,5-9H2
InChIKeyTVIGDAMBVDKMKX-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.59
Rot. Bonds3

About 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine

4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 112563753) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID112563753
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(Cc1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C14H17F4N/c15-13(11-5-7-19-8-6-11)9-10-1-3-12(4-2-10)14(16,17)18/h1-4,11,13,19H,5-9H2
InChIKeyTVIGDAMBVDKMKX-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563630
4-[2-(2,6-difluorophenyl)-1-fluoroethyl]piperidine
CID 114935288
4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
CID 112563662
(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
CID 112565416
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine
CID 20613879
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 124514391
1-(2-bromo-3-cyclopropylpropyl)-4-(trifluoromethyl)benzene
CID 55224852
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269

Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine (CID 112563753) is 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine is FC(Cc1ccc(C(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is TVIGDAMBVDKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c15-13(11-5-7-19-8-6-11)9-10-1-3-12(4-2-10)14(16,17)18/h1-4,11,13,19H,5-9H2.
What are the key properties of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 275.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 112563753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).